6-bromanyl-2-[(4-methylphenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-[(4-methylphenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-1-oxo-4-phenyl-2-(p-tolylmethyl)isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[(4-methylphenyl)methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(4-methylphenyl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-2-(4-methylbenzyl)-4-phenyl-isoquinoline-3-carboxylic acid Formula: C24H18BrNO3 MolecularWeight: 448.30862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H18BrNO3/c1-15-7-9-16(10-8-15)14-26-22(24(28)29)21(17-5-3-2-4-6-17)20-13-18(25)11-12-19(20)23(26)27/h2-13H,14H2,1H3,(H,28,29)